2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide

C21H20N4O4 — CID 3480729

IUPAC2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)cc1
InChIInChI=1S/C21H20N4O4/c1-29-15-8-6-14(7-9-15)23-19(26)12-25-20(27)18(24-21(25)28)10-13-11-22-17-5-3-2-4-16(13)17/h2-9,11,18,22H,10,12H2,1H3,(H,23,26)(H,24,28)
InChIKeyNYRGKJFEEZQWEF-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.28
Rot. Bonds6

About 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide

2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 3480729) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID3480729
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)cc1
InChIInChI=1S/C21H20N4O4/c1-29-15-8-6-14(7-9-15)23-19(26)12-25-20(27)18(24-21(25)28)10-13-11-22-17-5-3-2-4-16(13)17/h2-9,11,18,22H,10,12H2,1H3,(H,23,26)(H,24,28)
InChIKeyNYRGKJFEEZQWEF-UHFFFAOYSA-N
XLogP2.28
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2653207
N-(4-ethoxyphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7901676
2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2090352
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4879495
N-(3-fluorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51864114
N-(1,3-benzodioxol-5-yl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2484748
2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 51564726
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40810198
N-(2,5-diethoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42927220
N-(2,6-difluorophenyl)-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 9170327
2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 2470027
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 3933614

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 3480729) is 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)cc1.
What is the InChIKey of 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is NYRGKJFEEZQWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-29-15-8-6-14(7-9-15)23-19(26)12-25-20(27)18(24-21(25)28)10-13-11-22-17-5-3-2-4-16(13)17/h2-9,11,18,22H,10,12H2,1H3,(H,23,26)(H,24,28).
What are the key properties of 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 392.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3480729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).